2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol

C17H26N4OS — CID 29085910

IUPAC2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCc1cc(CN2CCC(n3cc(C(C)(C)O)nn3)CC2)c(C)s1
InChIInChI=1S/C17H26N4OS/c1-12-9-14(13(2)23-12)10-20-7-5-15(6-8-20)21-11-16(18-19-21)17(3,4)22/h9,11,15,22H,5-8,10H2,1-4H3
InChIKeyYCBPSNDMDQHIFL-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.02
Rot. Bonds4

About 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol

2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol (PubChem CID 29085910) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
PubChem CID29085910
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCc1cc(CN2CCC(n3cc(C(C)(C)O)nn3)CC2)c(C)s1
InChIInChI=1S/C17H26N4OS/c1-12-9-14(13(2)23-12)10-20-7-5-15(6-8-20)21-11-16(18-19-21)17(3,4)22/h9,11,15,22H,5-8,10H2,1-4H3
InChIKeyYCBPSNDMDQHIFL-UHFFFAOYSA-N
XLogP3.02
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol (CID 29085910) is 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol is Cc1cc(CN2CCC(n3cc(C(C)(C)O)nn3)CC2)c(C)s1.
What is the InChIKey of 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The InChIKey is YCBPSNDMDQHIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-12-9-14(13(2)23-12)10-20-7-5-15(6-8-20)21-11-16(18-19-21)17(3,4)22/h9,11,15,22H,5-8,10H2,1-4H3.
What are the key properties of 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol has a molecular weight of 334.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 29085910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).